Summary

IMPPAT Phytochemical identifier: IMPHY002751

Phytochemical name: Sansevierigenin

Synonymous chemical names:
sansevierigenin

External chemical identifiers:
CID:101316850

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Chemical structure information

SMILES:
C=C1CO[C@]2([C@H](C1)O)O[C@@H]1[C@H]([C@@H]2C)[C@@]2([C@@H](C1)[C@@H]1CC=C3[C@]([C@H]1CC2)(C)[C@H](O)C[C@@H](C3)O)C

InChI:
InChI=1S/C27H40O5/c1-14-9-23(30)27(31-13-14)15(2)24-21(32-27)12-20-18-6-5-16-10-17(28)11-22(29)26(16,4)19(18)7-8-25(20,24)3/h5,15,17-24,28-30H,1,6-13H2,2-4H3/t15-,17+,18+,19-,20-,21-,22+,23-,24-,25-,26-,27-/m0/s1

InChIKey:
FHPONZLVKCONKB-ISSNTNPJSA-N

DeepSMILES:
C=CCO[C@][C@H]C6)O))O[C@@H][C@H][C@@H]5C))[C@@][C@@H]C5)[C@@H]CC=C[C@][C@H]6CC%10)))C)[C@H]O)C[C@@H]C6)O))))))))))C

Functional groups:
C=C(C)C, CC=C(C)C, CO, CO[C@](C)(C)OC

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Molecular scaffolds

Scaffold Graph/Node/Bond level:
C=C1CCC2(CC3C(CC4C3CCC3C5CCCCC5=CCC34)O2)OC1

Scaffold Graph/Node level:
CC1CCC2(CC3C(CC4C3CCC3C5CCCCC5CCC34)O2)OC1

Scaffold Graph level:
CC1CCC2(CC1)CC1CC3C(CCC4C5CCCCC5CCC43)C1C2

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Chemical classification

ClassyFire Kingdom: Organic compounds

ClassyFire Superclass: Lipids and lipid-like molecules

ClassyFire Class: Prenol lipids

ClassyFire Subclass: Triterpenoids

NP Classifier Biosynthetic pathway: Terpenoids

NP Classifier Superclass: Steroids

NP Classifier Class: Spirostane steroids

NP-Likeness score: 3.488

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Chemical structure download